1-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide

C28H31N3O3 — CID 25377837

IUPAC1-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)N[C@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C28H31N3O3/c32-26-14-8-7-13-24(26)30-28(34)23-15-17-31(18-16-23)20-27(33)29-25(22-11-5-2-6-12-22)19-21-9-3-1-4-10-21/h1-14,23,25,32H,15-20H2,(H,29,33)(H,30,34)/t25-/m1/s1
InChIKeyPHGDKKCGIQCKKC-RUZDIDTESA-N
MW457.57 g/mol
LogP4.14
Rot. Bonds8

About 1-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide

1-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide (PubChem CID 25377837) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is 1-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
PubChem CID25377837
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Name1-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)N[C@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C28H31N3O3/c32-26-14-8-7-13-24(26)30-28(34)23-15-17-31(18-16-23)20-27(33)29-25(22-11-5-2-6-12-22)19-21-9-3-1-4-10-21/h1-14,23,25,32H,15-20H2,(H,29,33)(H,30,34)/t25-/m1/s1
InChIKeyPHGDKKCGIQCKKC-RUZDIDTESA-N
XLogP4.14
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[4-[2-(1,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 24596362
1-[2-(4-benzylpiperazin-1-yl)acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 112822850
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,2-diphenylethyl)acetamide;hydrochloride
CID 120776374
1-[2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 18089114
N-(1,2-diphenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 17412124
1-[2-(1,2-diphenylethylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 60570248
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 100678867
2-(4-aminopiperidin-1-yl)-N-(2-hydroxyphenyl)acetamide
CID 79327429
N-(5-chloro-2-hydroxyphenyl)-1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 60511834
1-[2-oxo-2-(1-phenylbutylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 119904107
N-(2-hydroxyphenyl)-1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 41099612
4-N-(1,2-diphenylethyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 55683199

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide (CID 25377837) is 1-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide is O=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)N[C@H](Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The InChIKey is PHGDKKCGIQCKKC-RUZDIDTESA-N. The full InChI is InChI=1S/C28H31N3O3/c32-26-14-8-7-13-24(26)30-28(34)23-15-17-31(18-16-23)20-27(33)29-25(22-11-5-2-6-12-22)19-21-9-3-1-4-10-21/h1-14,23,25,32H,15-20H2,(H,29,33)(H,30,34)/t25-/m1/s1.
What are the key properties of 1-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
1-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide has a molecular weight of 457.57 g/mol, XLogP of 4.14, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 25377837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).